USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 180:sc= 0.087 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= -1.71 F(o=-2.2!,f=-1.6) USER MOD Set 2.1: A 57 THR OG1 : rot 90:sc= 0.406 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -4.06! K(o=-3.7!,f=-5.6) USER MOD Single : A 44 MET CE :methyl 152:sc= -0.116 (180deg=-1.2) USER MOD Single : A 45 MET CE :methyl -115:sc= -8.77! (180deg=-11.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.14) USER MOD Single : A 52 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -6.73! C(o=-6.7!,f=-7.7!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.338 F(o=-1.6!,f=-0.34) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= -2.4! (180deg=-2.68!) USER MOD Single : A 71 GLN : amide:sc= -9.53! C(o=-9.5!,f=-9.2!) USER MOD Single : A 75 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 82 MET CE :methyl -161:sc= -0.277 (180deg=-1.03) USER MOD Single : A 86 ASN : amide:sc= -1.81! X(o=-1.8!,f=-1.3) USER MOD Single : A 89 SER OG : rot -42:sc= 0.986 USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= -0.0645 (180deg=-0.409) USER MOD Single : A 96 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.36) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0467 (180deg=-0.348) USER MOD Single : A 99 CYS SG : rot 180:sc= -2.88! USER MOD Single : A 100 MET CE :methyl -120:sc= -1.91 (180deg=-3.37!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -150:sc= -0.331 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.254 USER MOD Single : A 133 GLN :FLIP amide:sc= -3.18! C(o=-4.8!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.248 -1.859 2.124 1.00 0.41 N ATOM 224 CA MET A 44 -12.555 -1.722 3.388 1.00 0.41 C ATOM 225 C MET A 44 -11.327 -0.837 3.215 1.00 0.31 C ATOM 226 O MET A 44 -11.160 0.131 3.941 1.00 0.28 O ATOM 227 CB MET A 44 -12.165 -3.092 3.945 1.00 0.50 C ATOM 228 CG MET A 44 -13.341 -4.050 4.127 1.00 0.82 C ATOM 229 SD MET A 44 -14.753 -3.312 4.984 1.00 1.59 S ATOM 230 CE MET A 44 -15.891 -3.015 3.624 1.00 1.62 C ATOM 0 HA MET A 44 -13.226 -1.250 4.105 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.437 -3.551 3.276 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.671 -2.954 4.907 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.665 -4.403 3.148 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.004 -4.923 4.686 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.916 -3.047 3.994 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.692 -2.035 3.190 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.756 -3.783 2.862 1.00 1.62 H new ATOM 240 N MET A 45 -10.475 -1.154 2.243 1.00 0.28 N ATOM 241 CA MET A 45 -9.321 -0.303 1.951 1.00 0.22 C ATOM 242 C MET A 45 -9.766 1.039 1.386 1.00 0.20 C ATOM 243 O MET A 45 -9.116 2.050 1.599 1.00 0.20 O ATOM 244 CB MET A 45 -8.355 -0.953 0.961 1.00 0.24 C ATOM 245 CG MET A 45 -8.860 -0.938 -0.468 1.00 0.32 C ATOM 246 SD MET A 45 -7.624 -0.386 -1.647 1.00 0.98 S ATOM 247 CE MET A 45 -6.303 -1.542 -1.328 1.00 0.22 C ATOM 0 H MET A 45 -10.558 -1.981 1.651 1.00 0.28 H new ATOM 0 HA MET A 45 -8.802 -0.158 2.898 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.397 -0.435 1.006 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.174 -1.984 1.264 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.191 -1.940 -0.740 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.731 -0.286 -0.532 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.440 -1.008 -0.929 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.637 -2.285 -0.603 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.024 -2.041 -2.256 1.00 0.22 H new ATOM 257 N SER A 46 -10.854 1.044 0.642 1.00 0.24 N ATOM 258 CA SER A 46 -11.376 2.280 0.097 1.00 0.30 C ATOM 259 C SER A 46 -11.626 3.280 1.222 1.00 0.27 C ATOM 260 O SER A 46 -11.162 4.420 1.169 1.00 0.30 O ATOM 261 CB SER A 46 -12.648 1.999 -0.697 1.00 0.39 C ATOM 262 OG SER A 46 -13.216 3.189 -1.215 1.00 0.53 O ATOM 0 H SER A 46 -11.391 0.211 0.402 1.00 0.24 H new ATOM 0 HA SER A 46 -10.646 2.718 -0.583 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.422 1.317 -1.517 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.374 1.498 -0.056 1.00 0.39 H new ATOM 0 HG SER A 46 -14.028 2.972 -1.719 1.00 0.53 H new ATOM 268 N GLN A 47 -12.345 2.851 2.247 1.00 0.25 N ATOM 269 CA GLN A 47 -12.574 3.701 3.401 1.00 0.27 C ATOM 270 C GLN A 47 -11.338 3.788 4.308 1.00 0.24 C ATOM 271 O GLN A 47 -10.944 4.879 4.710 1.00 0.29 O ATOM 272 CB GLN A 47 -13.819 3.250 4.186 1.00 0.30 C ATOM 273 CG GLN A 47 -13.849 1.767 4.529 1.00 0.33 C ATOM 274 CD GLN A 47 -15.104 1.355 5.271 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.158 1.395 6.500 1.00 1.10 O ATOM 276 NE2 GLN A 47 -16.120 0.952 4.525 1.00 1.11 N ATOM 0 H GLN A 47 -12.776 1.928 2.303 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.762 4.707 3.027 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.877 3.825 5.110 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.708 3.493 3.603 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.770 1.186 3.610 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.978 1.523 5.137 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -16.031 0.935 3.509 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.992 0.659 4.966 1.00 1.11 H new ATOM 285 N ALA A 48 -10.727 2.647 4.636 1.00 0.21 N ATOM 286 CA ALA A 48 -9.587 2.631 5.556 1.00 0.22 C ATOM 287 C ALA A 48 -8.310 3.181 4.930 1.00 0.20 C ATOM 288 O ALA A 48 -7.727 4.126 5.454 1.00 0.22 O ATOM 289 CB ALA A 48 -9.326 1.224 6.079 1.00 0.24 C ATOM 0 H ALA A 48 -10.999 1.730 4.282 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.861 3.287 6.382 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.475 1.241 6.760 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.207 0.864 6.609 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.109 0.559 5.243 1.00 0.24 H new ATOM 295 N LEU A 49 -7.895 2.626 3.794 1.00 0.18 N ATOM 296 CA LEU A 49 -6.594 2.944 3.212 1.00 0.18 C ATOM 297 C LEU A 49 -6.574 4.321 2.602 1.00 0.19 C ATOM 298 O LEU A 49 -5.740 5.151 2.948 1.00 0.21 O ATOM 299 CB LEU A 49 -6.239 1.961 2.099 1.00 0.23 C ATOM 300 CG LEU A 49 -5.190 0.915 2.427 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.720 0.284 1.135 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.023 1.510 3.207 1.00 0.58 C ATOM 0 H LEU A 49 -8.442 1.953 3.257 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.876 2.885 4.030 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.150 1.446 1.795 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.893 2.532 1.237 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.632 0.153 3.069 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.965 -0.471 1.353 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.565 -0.183 0.630 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.291 1.051 0.490 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.294 0.729 3.422 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.551 2.294 2.614 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.389 1.933 4.143 1.00 0.58 H new ATOM 314 N LYS A 50 -7.485 4.546 1.675 1.00 0.19 N ATOM 315 CA LYS A 50 -7.475 5.758 0.883 1.00 0.21 C ATOM 316 C LYS A 50 -7.575 6.985 1.790 1.00 0.23 C ATOM 317 O LYS A 50 -7.045 8.051 1.484 1.00 0.27 O ATOM 318 CB LYS A 50 -8.602 5.715 -0.151 1.00 0.22 C ATOM 319 CG LYS A 50 -8.675 4.387 -0.897 1.00 0.20 C ATOM 320 CD LYS A 50 -7.370 4.076 -1.627 1.00 0.21 C ATOM 321 CE LYS A 50 -7.179 4.947 -2.857 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.957 4.448 -4.020 1.00 0.55 N ATOM 0 H LYS A 50 -8.244 3.902 1.452 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.532 5.831 0.342 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.553 5.898 0.349 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.459 6.522 -0.870 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.898 3.586 -0.192 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.495 4.417 -1.615 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.531 4.222 -0.946 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.362 3.027 -1.922 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.484 5.968 -2.629 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.121 4.981 -3.116 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.720 5.009 -4.863 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.723 3.449 -4.192 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.974 4.535 -3.821 1.00 0.55 H new ATOM 336 N ALA A 51 -8.243 6.802 2.924 1.00 0.22 N ATOM 337 CA ALA A 51 -8.329 7.836 3.947 1.00 0.23 C ATOM 338 C ALA A 51 -7.046 7.917 4.783 1.00 0.23 C ATOM 339 O ALA A 51 -6.580 9.010 5.109 1.00 0.26 O ATOM 340 CB ALA A 51 -9.532 7.601 4.847 1.00 0.25 C ATOM 0 H ALA A 51 -8.736 5.940 3.158 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.452 8.791 3.435 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.578 8.384 5.604 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.443 7.620 4.249 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.438 6.630 5.334 1.00 0.25 H new ATOM 346 N THR A 52 -6.467 6.762 5.111 1.00 0.21 N ATOM 347 CA THR A 52 -5.359 6.701 6.065 1.00 0.22 C ATOM 348 C THR A 52 -4.028 7.101 5.436 1.00 0.21 C ATOM 349 O THR A 52 -3.063 7.354 6.148 1.00 0.23 O ATOM 350 CB THR A 52 -5.209 5.283 6.675 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.331 5.324 7.810 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.662 4.290 5.648 1.00 0.18 C ATOM 0 H THR A 52 -6.746 5.857 4.731 1.00 0.21 H new ATOM 0 HA THR A 52 -5.607 7.415 6.850 1.00 0.22 H new ATOM 0 HB THR A 52 -6.199 4.950 6.986 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.412 4.489 8.316 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.569 3.306 6.107 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.344 4.231 4.800 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.683 4.624 5.304 1.00 0.18 H new ATOM 360 N PHE A 53 -3.989 7.182 4.110 1.00 0.23 N ATOM 361 CA PHE A 53 -2.731 7.340 3.382 1.00 0.27 C ATOM 362 C PHE A 53 -1.881 8.496 3.885 1.00 0.32 C ATOM 363 O PHE A 53 -0.649 8.422 3.847 1.00 0.34 O ATOM 364 CB PHE A 53 -2.983 7.514 1.891 1.00 0.31 C ATOM 365 CG PHE A 53 -3.375 6.244 1.211 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.811 5.040 1.591 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.303 6.250 0.196 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.165 3.866 0.963 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.659 5.078 -0.434 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.090 3.886 -0.052 1.00 0.38 C ATOM 0 H PHE A 53 -4.816 7.141 3.514 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.172 6.422 3.563 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.769 8.255 1.746 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.083 7.908 1.420 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.084 5.020 2.390 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.756 7.181 -0.110 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.716 2.932 1.268 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.388 5.095 -1.231 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.370 2.969 -0.548 1.00 0.38 H new ATOM 380 N SER A 54 -2.531 9.541 4.365 1.00 0.36 N ATOM 381 CA SER A 54 -1.833 10.716 4.851 1.00 0.44 C ATOM 382 C SER A 54 -0.956 10.368 6.053 1.00 0.39 C ATOM 383 O SER A 54 -0.012 11.083 6.358 1.00 0.46 O ATOM 384 CB SER A 54 -2.852 11.791 5.222 1.00 0.55 C ATOM 385 OG SER A 54 -3.757 12.006 4.150 1.00 1.37 O ATOM 0 H SER A 54 -3.547 9.599 4.428 1.00 0.36 H new ATOM 0 HA SER A 54 -1.181 11.094 4.063 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.400 11.489 6.114 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.337 12.721 5.464 1.00 0.55 H new ATOM 0 HG SER A 54 -4.405 12.696 4.403 1.00 1.37 H new ATOM 391 N GLY A 55 -1.274 9.259 6.716 1.00 0.31 N ATOM 392 CA GLY A 55 -0.510 8.807 7.863 1.00 0.28 C ATOM 393 C GLY A 55 0.967 8.603 7.564 1.00 0.22 C ATOM 394 O GLY A 55 1.815 9.334 8.082 1.00 0.25 O ATOM 0 H GLY A 55 -2.061 8.658 6.472 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.613 9.535 8.668 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.932 7.870 8.225 1.00 0.28 H new ATOM 398 N PHE A 56 1.289 7.632 6.716 1.00 0.15 N ATOM 399 CA PHE A 56 2.688 7.331 6.427 1.00 0.12 C ATOM 400 C PHE A 56 3.302 8.431 5.598 1.00 0.13 C ATOM 401 O PHE A 56 4.400 8.866 5.868 1.00 0.17 O ATOM 402 CB PHE A 56 2.859 6.006 5.686 1.00 0.13 C ATOM 403 CG PHE A 56 4.298 5.695 5.374 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.095 5.039 6.301 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.843 6.029 4.145 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.407 4.727 6.008 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.157 5.722 3.849 1.00 0.26 C ATOM 408 CZ PHE A 56 6.969 5.176 4.813 1.00 0.28 C ATOM 0 H PHE A 56 0.613 7.048 6.223 1.00 0.15 H new ATOM 0 HA PHE A 56 3.193 7.252 7.390 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.440 5.201 6.289 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.289 6.038 4.757 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.684 4.769 7.263 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.234 6.535 3.410 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.994 4.140 6.699 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.546 5.911 2.859 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.033 5.095 4.647 1.00 0.28 H new ATOM 418 N THR A 57 2.564 8.889 4.607 1.00 0.16 N ATOM 419 CA THR A 57 3.063 9.893 3.666 1.00 0.24 C ATOM 420 C THR A 57 3.447 11.190 4.390 1.00 0.26 C ATOM 421 O THR A 57 4.286 11.959 3.920 1.00 0.35 O ATOM 422 CB THR A 57 2.009 10.193 2.593 1.00 0.32 C ATOM 423 OG1 THR A 57 1.636 8.975 1.922 1.00 0.39 O ATOM 424 CG2 THR A 57 2.525 11.191 1.566 1.00 0.46 C ATOM 0 H THR A 57 1.608 8.584 4.425 1.00 0.16 H new ATOM 0 HA THR A 57 3.955 9.486 3.190 1.00 0.24 H new ATOM 0 HB THR A 57 1.143 10.629 3.091 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.880 8.563 2.389 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.752 11.380 0.821 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.784 12.125 2.065 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.409 10.784 1.076 1.00 0.46 H new ATOM 432 N LYS A 58 2.850 11.406 5.557 1.00 0.24 N ATOM 433 CA LYS A 58 3.149 12.587 6.362 1.00 0.31 C ATOM 434 C LYS A 58 4.460 12.387 7.115 1.00 0.29 C ATOM 435 O LYS A 58 5.313 13.277 7.151 1.00 0.31 O ATOM 436 CB LYS A 58 2.021 12.886 7.352 1.00 0.39 C ATOM 437 CG LYS A 58 2.213 14.186 8.119 1.00 0.50 C ATOM 438 CD LYS A 58 1.052 14.465 9.062 1.00 1.34 C ATOM 439 CE LYS A 58 -0.271 14.526 8.315 1.00 1.93 C ATOM 440 NZ LYS A 58 -1.386 14.962 9.195 1.00 2.52 N ATOM 0 H LYS A 58 2.157 10.780 5.967 1.00 0.24 H new ATOM 0 HA LYS A 58 3.243 13.438 5.688 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.076 12.929 6.811 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.944 12.063 8.062 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.140 14.137 8.690 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.315 15.012 7.415 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.005 13.687 9.824 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.222 15.409 9.581 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -0.182 15.214 7.475 1.00 1.93 H new ATOM 0 HE3 LYS A 58 -0.499 13.544 7.900 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -2.270 14.990 8.647 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -1.489 14.292 9.983 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 -1.181 15.910 9.571 1.00 2.52 H new ATOM 454 N GLU A 59 4.626 11.200 7.693 1.00 0.26 N ATOM 455 CA GLU A 59 5.810 10.894 8.484 1.00 0.25 C ATOM 456 C GLU A 59 6.950 10.463 7.566 1.00 0.21 C ATOM 457 O GLU A 59 8.117 10.535 7.925 1.00 0.24 O ATOM 458 CB GLU A 59 5.494 9.829 9.543 1.00 0.31 C ATOM 459 CG GLU A 59 6.313 8.562 9.438 1.00 0.43 C ATOM 460 CD GLU A 59 6.255 7.750 10.717 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.277 6.995 10.901 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.200 7.843 11.530 1.00 0.98 O ATOM 0 H GLU A 59 3.954 10.435 7.627 1.00 0.26 H new ATOM 0 HA GLU A 59 6.128 11.791 9.016 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.649 10.263 10.531 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.438 9.568 9.471 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.946 7.959 8.607 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.349 8.816 9.215 1.00 0.43 H new ATOM 469 N GLN A 60 6.577 10.012 6.382 1.00 0.19 N ATOM 470 CA GLN A 60 7.509 9.715 5.304 1.00 0.19 C ATOM 471 C GLN A 60 8.400 10.919 5.065 1.00 0.22 C ATOM 472 O GLN A 60 9.620 10.808 4.991 1.00 0.23 O ATOM 473 CB GLN A 60 6.703 9.387 4.044 1.00 0.21 C ATOM 474 CG GLN A 60 7.518 9.052 2.818 1.00 0.28 C ATOM 475 CD GLN A 60 6.620 8.763 1.635 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.520 9.303 1.528 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.079 7.919 0.738 1.00 0.26 N ATOM 0 H GLN A 60 5.602 9.838 6.136 1.00 0.19 H new ATOM 0 HA GLN A 60 8.138 8.864 5.565 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.046 8.545 4.263 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.063 10.238 3.812 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.183 9.882 2.581 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.149 8.186 3.021 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.997 7.492 0.862 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.517 7.691 -0.083 1.00 0.26 H new ATOM 486 N GLN A 61 7.762 12.074 4.990 1.00 0.28 N ATOM 487 CA GLN A 61 8.463 13.344 4.833 1.00 0.34 C ATOM 488 C GLN A 61 9.403 13.588 6.022 1.00 0.34 C ATOM 489 O GLN A 61 10.497 14.136 5.875 1.00 0.37 O ATOM 490 CB GLN A 61 7.449 14.482 4.761 1.00 0.45 C ATOM 491 CG GLN A 61 6.311 14.235 3.782 1.00 0.58 C ATOM 492 CD GLN A 61 6.779 13.926 2.374 1.00 0.77 C ATOM 493 OE1 GLN A 61 6.033 13.084 1.681 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.808 14.425 1.919 1.00 1.12 N flip ATOM 0 H GLN A 61 6.747 12.162 5.036 1.00 0.28 H new ATOM 0 HA GLN A 61 9.049 13.306 3.915 1.00 0.34 H new ATOM 0 HB2 GLN A 61 7.031 14.646 5.754 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.966 15.399 4.477 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.704 13.405 4.145 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.667 15.114 3.757 1.00 0.58 H new ATOM 0 HE21 GLN A 61 8.356 15.071 2.487 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.113 14.192 0.974 1.00 1.12 H new ATOM 503 N ARG A 62 8.949 13.172 7.202 1.00 0.34 N ATOM 504 CA ARG A 62 9.696 13.333 8.451 1.00 0.39 C ATOM 505 C ARG A 62 10.896 12.395 8.492 1.00 0.36 C ATOM 506 O ARG A 62 12.005 12.794 8.850 1.00 0.41 O ATOM 507 CB ARG A 62 8.770 13.035 9.635 1.00 0.44 C ATOM 508 CG ARG A 62 9.472 12.947 10.983 1.00 0.58 C ATOM 509 CD ARG A 62 10.102 14.266 11.401 1.00 1.13 C ATOM 510 NE ARG A 62 10.850 14.126 12.652 1.00 1.93 N ATOM 511 CZ ARG A 62 11.031 15.106 13.535 1.00 2.74 C ATOM 512 NH1 ARG A 62 10.545 16.318 13.302 1.00 2.99 N ATOM 513 NH2 ARG A 62 11.702 14.872 14.654 1.00 3.73 N ATOM 0 H ARG A 62 8.047 12.711 7.321 1.00 0.34 H new ATOM 0 HA ARG A 62 10.060 14.359 8.511 1.00 0.39 H new ATOM 0 HB2 ARG A 62 8.008 13.812 9.687 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.253 12.094 9.447 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.755 12.634 11.742 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.244 12.178 10.937 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.769 14.619 10.614 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.325 15.020 11.522 1.00 1.13 H new ATOM 0 HE ARG A 62 11.260 13.216 12.861 1.00 1.93 H new ATOM 0 HH11 ARG A 62 10.029 16.504 12.442 1.00 2.99 H new ATOM 0 HH12 ARG A 62 10.687 17.064 13.983 1.00 2.99 H new ATOM 0 HH21 ARG A 62 12.079 13.942 14.838 1.00 3.73 H new ATOM 0 HH22 ARG A 62 11.841 15.622 15.331 1.00 3.73 H new ATOM 527 N LEU A 63 10.658 11.148 8.121 1.00 0.30 N ATOM 528 CA LEU A 63 11.685 10.121 8.130 1.00 0.32 C ATOM 529 C LEU A 63 12.666 10.315 6.994 1.00 0.31 C ATOM 530 O LEU A 63 13.549 9.486 6.770 1.00 0.37 O ATOM 531 CB LEU A 63 11.038 8.738 8.058 1.00 0.33 C ATOM 532 CG LEU A 63 10.122 8.400 9.231 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.433 7.067 9.003 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.908 8.381 10.532 1.00 0.65 C ATOM 0 H LEU A 63 9.746 10.819 7.805 1.00 0.30 H new ATOM 0 HA LEU A 63 12.244 10.202 9.062 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.463 8.668 7.134 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.825 7.986 8.001 1.00 0.33 H new ATOM 0 HG LEU A 63 9.356 9.172 9.304 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.784 6.843 9.850 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.836 7.117 8.092 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.183 6.282 8.903 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.239 8.138 11.358 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.696 7.630 10.470 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.354 9.361 10.702 1.00 0.65 H new ATOM 546 N GLY A 64 12.504 11.425 6.285 1.00 0.28 N ATOM 547 CA GLY A 64 13.369 11.732 5.172 1.00 0.30 C ATOM 548 C GLY A 64 13.176 10.738 4.064 1.00 0.27 C ATOM 549 O GLY A 64 14.030 10.582 3.193 1.00 0.33 O ATOM 0 H GLY A 64 11.781 12.121 6.467 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.158 12.737 4.807 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.409 11.723 5.499 1.00 0.30 H new ATOM 553 N ILE A 65 12.040 10.060 4.105 1.00 0.22 N ATOM 554 CA ILE A 65 11.742 9.044 3.141 1.00 0.20 C ATOM 555 C ILE A 65 11.194 9.690 1.878 1.00 0.21 C ATOM 556 O ILE A 65 10.249 10.477 1.940 1.00 0.23 O ATOM 557 CB ILE A 65 10.730 7.996 3.669 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.293 7.289 4.902 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.398 6.980 2.581 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.443 6.131 5.382 1.00 0.20 C ATOM 0 H ILE A 65 11.313 10.205 4.805 1.00 0.22 H new ATOM 0 HA ILE A 65 12.671 8.515 2.929 1.00 0.20 H new ATOM 0 HB ILE A 65 9.813 8.512 3.952 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.294 6.923 4.674 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.394 8.013 5.710 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.686 6.251 2.969 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.961 7.494 1.724 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.309 6.468 2.271 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.906 5.679 6.259 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.448 6.493 5.642 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.362 5.386 4.590 1.00 0.20 H new ATOM 572 N PRO A 66 11.818 9.413 0.731 1.00 0.24 N ATOM 573 CA PRO A 66 11.323 9.865 -0.569 1.00 0.27 C ATOM 574 C PRO A 66 9.841 9.540 -0.739 1.00 0.22 C ATOM 575 O PRO A 66 9.427 8.421 -0.477 1.00 0.23 O ATOM 576 CB PRO A 66 12.149 9.047 -1.555 1.00 0.35 C ATOM 577 CG PRO A 66 13.410 8.708 -0.839 1.00 0.26 C ATOM 578 CD PRO A 66 13.069 8.645 0.621 1.00 0.31 C ATOM 0 HA PRO A 66 11.415 10.943 -0.702 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.617 8.146 -1.859 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.354 9.617 -2.461 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.808 7.754 -1.186 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.176 9.460 -1.026 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.936 7.616 0.955 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.859 9.079 1.234 1.00 0.31 H new ATOM 586 N LYS A 67 9.045 10.521 -1.142 1.00 0.25 N ATOM 587 CA LYS A 67 7.598 10.329 -1.272 1.00 0.27 C ATOM 588 C LYS A 67 7.238 9.316 -2.366 1.00 0.25 C ATOM 589 O LYS A 67 6.169 8.709 -2.324 1.00 0.36 O ATOM 590 CB LYS A 67 6.904 11.654 -1.563 1.00 0.43 C ATOM 591 CG LYS A 67 7.453 12.361 -2.787 1.00 1.04 C ATOM 592 CD LYS A 67 6.384 13.182 -3.493 1.00 1.15 C ATOM 593 CE LYS A 67 5.491 12.321 -4.384 1.00 1.67 C ATOM 594 NZ LYS A 67 4.774 11.257 -3.626 1.00 2.42 N ATOM 0 H LYS A 67 9.371 11.457 -1.385 1.00 0.25 H new ATOM 0 HA LYS A 67 7.250 9.931 -0.318 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.838 11.475 -1.703 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.007 12.308 -0.697 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.276 13.012 -2.492 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.862 11.625 -3.479 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.770 13.692 -2.750 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.861 13.954 -4.097 1.00 1.15 H new ATOM 0 HE2 LYS A 67 4.762 12.958 -4.884 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.099 11.860 -5.162 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 4.145 10.736 -4.270 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 5.466 10.600 -3.211 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 4.211 11.691 -2.867 1.00 2.42 H new ATOM 608 N ASP A 68 8.106 9.173 -3.356 1.00 0.28 N ATOM 609 CA ASP A 68 7.903 8.184 -4.414 1.00 0.28 C ATOM 610 C ASP A 68 8.454 6.849 -3.961 1.00 0.21 C ATOM 611 O ASP A 68 9.229 6.793 -3.019 1.00 0.23 O ATOM 612 CB ASP A 68 8.582 8.619 -5.722 1.00 0.39 C ATOM 613 CG ASP A 68 7.871 9.752 -6.429 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.856 10.880 -5.898 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.333 9.518 -7.533 1.00 1.88 O ATOM 0 H ASP A 68 8.958 9.726 -3.453 1.00 0.28 H new ATOM 0 HA ASP A 68 6.834 8.096 -4.608 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.606 8.923 -5.506 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.639 7.762 -6.394 1.00 0.39 H new ATOM 620 N PRO A 69 8.027 5.747 -4.579 1.00 0.19 N ATOM 621 CA PRO A 69 8.577 4.428 -4.275 1.00 0.20 C ATOM 622 C PRO A 69 9.873 4.120 -5.021 1.00 0.26 C ATOM 623 O PRO A 69 10.812 3.629 -4.427 1.00 0.65 O ATOM 624 CB PRO A 69 7.473 3.491 -4.739 1.00 0.40 C ATOM 625 CG PRO A 69 6.787 4.211 -5.852 1.00 0.37 C ATOM 626 CD PRO A 69 6.927 5.683 -5.561 1.00 0.22 C ATOM 0 HA PRO A 69 8.844 4.339 -3.222 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.882 2.540 -5.079 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.779 3.268 -3.928 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.238 3.961 -6.812 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.737 3.925 -5.910 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.163 6.248 -6.463 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.005 6.100 -5.156 1.00 0.22 H new ATOM 634 N ARG A 70 9.920 4.488 -6.299 1.00 0.20 N ATOM 635 CA ARG A 70 10.942 4.021 -7.264 1.00 0.26 C ATOM 636 C ARG A 70 12.396 4.403 -6.931 1.00 0.19 C ATOM 637 O ARG A 70 13.286 4.215 -7.757 1.00 0.27 O ATOM 638 CB ARG A 70 10.604 4.483 -8.692 1.00 0.46 C ATOM 639 CG ARG A 70 9.988 5.874 -8.800 1.00 0.96 C ATOM 640 CD ARG A 70 8.479 5.825 -8.614 1.00 0.87 C ATOM 641 NE ARG A 70 7.830 7.100 -8.914 1.00 1.06 N ATOM 642 CZ ARG A 70 7.061 7.311 -9.979 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.957 6.393 -10.934 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.427 8.464 -10.106 1.00 1.79 N ATOM 0 H ARG A 70 9.243 5.130 -6.711 1.00 0.20 H new ATOM 0 HA ARG A 70 10.898 2.935 -7.188 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.516 4.461 -9.289 1.00 0.46 H new ATOM 0 HB3 ARG A 70 9.915 3.764 -9.135 1.00 0.46 H new ATOM 0 HG2 ARG A 70 10.428 6.529 -8.048 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.223 6.304 -9.774 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.063 5.050 -9.258 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.253 5.540 -7.586 1.00 0.87 H new ATOM 0 HE ARG A 70 7.976 7.875 -8.267 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.470 5.515 -10.855 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.364 6.566 -11.746 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.529 9.184 -9.391 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.835 8.634 -10.919 1.00 1.79 H new ATOM 658 N GLN A 71 12.639 4.932 -5.751 1.00 0.16 N ATOM 659 CA GLN A 71 13.999 5.273 -5.338 1.00 0.16 C ATOM 660 C GLN A 71 14.235 4.931 -3.865 1.00 0.15 C ATOM 661 O GLN A 71 15.165 5.438 -3.237 1.00 0.18 O ATOM 662 CB GLN A 71 14.270 6.766 -5.574 1.00 0.20 C ATOM 663 CG GLN A 71 13.636 7.668 -4.529 1.00 0.38 C ATOM 664 CD GLN A 71 12.132 7.521 -4.464 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.404 8.262 -5.109 1.00 0.89 O ATOM 666 NE2 GLN A 71 11.662 6.525 -3.714 1.00 0.29 N ATOM 0 H GLN A 71 11.920 5.138 -5.057 1.00 0.16 H new ATOM 0 HA GLN A 71 14.687 4.682 -5.942 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.347 6.935 -5.584 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.895 7.044 -6.559 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.062 7.440 -3.552 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.886 8.705 -4.751 1.00 0.38 H new ATOM 0 HE21 GLN A 71 12.307 5.931 -3.192 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.657 6.356 -3.662 1.00 0.29 H new ATOM 675 N TRP A 72 13.395 4.068 -3.317 1.00 0.12 N ATOM 676 CA TRP A 72 13.482 3.702 -1.916 1.00 0.11 C ATOM 677 C TRP A 72 14.577 2.682 -1.661 1.00 0.12 C ATOM 678 O TRP A 72 15.039 1.999 -2.565 1.00 0.14 O ATOM 679 CB TRP A 72 12.149 3.091 -1.482 1.00 0.11 C ATOM 680 CG TRP A 72 11.137 4.085 -1.040 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.332 5.404 -0.793 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.762 3.820 -0.778 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.151 5.980 -0.410 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.170 5.026 -0.392 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.976 2.678 -0.843 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.818 5.121 -0.071 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.640 2.769 -0.524 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.072 3.983 -0.144 1.00 0.10 C ATOM 0 H TRP A 72 12.641 3.606 -3.826 1.00 0.12 H new ATOM 0 HA TRP A 72 13.714 4.604 -1.350 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.738 2.516 -2.312 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.332 2.389 -0.668 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.276 5.921 -0.885 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.022 6.964 -0.175 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.406 1.733 -1.139 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.377 6.062 0.225 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.022 1.885 -0.569 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.020 4.023 0.097 1.00 0.10 H new ATOM 699 N THR A 73 15.034 2.638 -0.427 1.00 0.14 N ATOM 700 CA THR A 73 15.880 1.564 0.036 1.00 0.15 C ATOM 701 C THR A 73 15.014 0.396 0.481 1.00 0.15 C ATOM 702 O THR A 73 13.787 0.533 0.553 1.00 0.16 O ATOM 703 CB THR A 73 16.732 2.036 1.224 1.00 0.18 C ATOM 704 OG1 THR A 73 15.865 2.517 2.264 1.00 0.19 O ATOM 705 CG2 THR A 73 17.682 3.147 0.808 1.00 0.21 C ATOM 0 H THR A 73 14.829 3.345 0.280 1.00 0.14 H new ATOM 0 HA THR A 73 16.536 1.255 -0.778 1.00 0.15 H new ATOM 0 HB THR A 73 17.324 1.194 1.583 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.403 2.818 3.025 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.273 3.462 1.668 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.347 2.783 0.025 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.109 3.994 0.432 1.00 0.21 H new ATOM 713 N GLU A 74 15.627 -0.732 0.804 1.00 0.17 N ATOM 714 CA GLU A 74 14.876 -1.858 1.346 1.00 0.20 C ATOM 715 C GLU A 74 14.164 -1.451 2.639 1.00 0.19 C ATOM 716 O GLU A 74 13.073 -1.935 2.941 1.00 0.28 O ATOM 717 CB GLU A 74 15.776 -3.090 1.568 1.00 0.29 C ATOM 718 CG GLU A 74 17.220 -2.791 1.977 1.00 1.25 C ATOM 719 CD GLU A 74 17.340 -2.037 3.288 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.319 -2.687 4.357 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.466 -0.795 3.257 1.00 2.67 O ATOM 0 H GLU A 74 16.629 -0.894 0.703 1.00 0.17 H new ATOM 0 HA GLU A 74 14.122 -2.142 0.612 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.322 -3.715 2.337 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.792 -3.676 0.649 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.767 -3.730 2.057 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.698 -2.210 1.189 1.00 1.25 H new ATOM 728 N THR A 75 14.767 -0.516 3.366 1.00 0.18 N ATOM 729 CA THR A 75 14.208 -0.021 4.613 1.00 0.21 C ATOM 730 C THR A 75 12.969 0.830 4.354 1.00 0.17 C ATOM 731 O THR A 75 11.962 0.701 5.045 1.00 0.20 O ATOM 732 CB THR A 75 15.244 0.829 5.377 1.00 0.29 C ATOM 733 OG1 THR A 75 16.454 0.082 5.562 1.00 0.47 O ATOM 734 CG2 THR A 75 14.707 1.263 6.731 1.00 0.47 C ATOM 0 H THR A 75 15.653 -0.083 3.106 1.00 0.18 H new ATOM 0 HA THR A 75 13.933 -0.888 5.214 1.00 0.21 H new ATOM 0 HB THR A 75 15.449 1.720 4.783 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.921 -0.001 4.705 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.459 1.860 7.246 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.805 1.858 6.591 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.472 0.382 7.328 1.00 0.47 H new ATOM 742 N HIS A 76 13.037 1.678 3.334 1.00 0.14 N ATOM 743 CA HIS A 76 11.969 2.637 3.077 1.00 0.12 C ATOM 744 C HIS A 76 10.741 1.925 2.523 1.00 0.10 C ATOM 745 O HIS A 76 9.603 2.258 2.869 1.00 0.10 O ATOM 746 CB HIS A 76 12.443 3.746 2.126 1.00 0.14 C ATOM 747 CG HIS A 76 13.438 4.683 2.747 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.578 5.093 4.028 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.432 5.321 2.034 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.643 5.957 4.068 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.141 6.077 2.853 1.00 0.19 N flip ATOM 0 H HIS A 76 13.815 1.721 2.676 1.00 0.14 H new ATOM 0 HA HIS A 76 11.694 3.108 4.021 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.888 3.290 1.242 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.579 4.318 1.788 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.604 5.218 0.973 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.013 6.457 4.951 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.939 6.656 2.590 1.00 0.19 H new ATOM 760 N VAL A 77 10.984 0.924 1.684 1.00 0.09 N ATOM 761 CA VAL A 77 9.924 0.116 1.134 1.00 0.07 C ATOM 762 C VAL A 77 9.214 -0.637 2.258 1.00 0.08 C ATOM 763 O VAL A 77 8.006 -0.517 2.411 1.00 0.08 O ATOM 764 CB VAL A 77 10.464 -0.868 0.066 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.396 -1.871 -0.334 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.972 -0.106 -1.161 1.00 0.08 C ATOM 0 H VAL A 77 11.918 0.658 1.373 1.00 0.09 H new ATOM 0 HA VAL A 77 9.208 0.772 0.639 1.00 0.07 H new ATOM 0 HB VAL A 77 11.299 -1.416 0.502 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.798 -2.551 -1.085 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.085 -2.440 0.542 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.537 -1.342 -0.747 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.347 -0.814 -1.900 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.156 0.472 -1.594 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.776 0.568 -0.864 1.00 0.08 H new ATOM 776 N ARG A 78 9.979 -1.365 3.076 1.00 0.09 N ATOM 777 CA ARG A 78 9.406 -2.139 4.184 1.00 0.11 C ATOM 778 C ARG A 78 8.658 -1.246 5.171 1.00 0.10 C ATOM 779 O ARG A 78 7.644 -1.657 5.735 1.00 0.14 O ATOM 780 CB ARG A 78 10.485 -2.907 4.938 1.00 0.18 C ATOM 781 CG ARG A 78 11.082 -4.079 4.177 1.00 0.37 C ATOM 782 CD ARG A 78 12.037 -4.858 5.067 1.00 0.40 C ATOM 783 NE ARG A 78 13.047 -3.986 5.672 1.00 1.11 N ATOM 784 CZ ARG A 78 14.330 -3.949 5.304 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.775 -4.730 4.324 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.170 -3.122 5.911 1.00 2.21 N ATOM 0 H ARG A 78 10.993 -1.436 2.994 1.00 0.09 H new ATOM 0 HA ARG A 78 8.703 -2.842 3.737 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.286 -2.216 5.201 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.063 -3.276 5.873 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.286 -4.735 3.825 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.610 -3.717 3.295 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.473 -5.362 5.852 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.530 -5.634 4.481 1.00 0.40 H new ATOM 0 HE ARG A 78 12.750 -3.365 6.425 1.00 1.11 H new ATOM 0 HH11 ARG A 78 14.135 -5.364 3.847 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.757 -4.695 4.050 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.836 -2.514 6.659 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.150 -3.094 5.630 1.00 2.21 H new ATOM 800 N ASP A 79 9.170 -0.040 5.379 1.00 0.11 N ATOM 801 CA ASP A 79 8.538 0.935 6.267 1.00 0.12 C ATOM 802 C ASP A 79 7.106 1.177 5.836 1.00 0.11 C ATOM 803 O ASP A 79 6.155 1.040 6.618 1.00 0.12 O ATOM 804 CB ASP A 79 9.305 2.256 6.223 1.00 0.16 C ATOM 805 CG ASP A 79 10.164 2.479 7.453 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.909 1.554 7.837 1.00 0.95 O ATOM 807 OD2 ASP A 79 10.102 3.582 8.040 1.00 1.05 O ATOM 0 H ASP A 79 10.030 0.291 4.941 1.00 0.11 H new ATOM 0 HA ASP A 79 8.550 0.540 7.283 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.938 2.274 5.336 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.597 3.079 6.126 1.00 0.16 H new ATOM 812 N TRP A 80 6.958 1.482 4.564 1.00 0.10 N ATOM 813 CA TRP A 80 5.667 1.771 3.989 1.00 0.09 C ATOM 814 C TRP A 80 4.867 0.481 3.846 1.00 0.09 C ATOM 815 O TRP A 80 3.635 0.472 3.937 1.00 0.09 O ATOM 816 CB TRP A 80 5.908 2.437 2.640 1.00 0.09 C ATOM 817 CG TRP A 80 4.836 2.227 1.637 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.745 3.003 1.421 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.779 1.166 0.687 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.013 2.489 0.383 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.629 1.360 -0.080 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.595 0.070 0.415 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.274 0.504 -1.108 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.240 -0.785 -0.604 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.087 -0.562 -1.357 1.00 0.10 C ATOM 0 H TRP A 80 7.732 1.536 3.901 1.00 0.10 H new ATOM 0 HA TRP A 80 5.087 2.439 4.626 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.032 3.508 2.798 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.847 2.064 2.230 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.492 3.891 1.982 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.148 2.885 0.015 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.490 -0.106 0.993 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.383 0.675 -1.694 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.863 -1.640 -0.823 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.833 -1.247 -2.153 1.00 0.10 H new ATOM 836 N VAL A 81 5.608 -0.602 3.661 1.00 0.10 N ATOM 837 CA VAL A 81 5.050 -1.932 3.504 1.00 0.11 C ATOM 838 C VAL A 81 4.289 -2.332 4.760 1.00 0.11 C ATOM 839 O VAL A 81 3.095 -2.622 4.721 1.00 0.11 O ATOM 840 CB VAL A 81 6.184 -2.946 3.188 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.878 -4.344 3.687 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.454 -2.989 1.696 1.00 0.14 C ATOM 0 H VAL A 81 6.627 -0.578 3.616 1.00 0.10 H new ATOM 0 HA VAL A 81 4.348 -1.933 2.670 1.00 0.11 H new ATOM 0 HB VAL A 81 7.070 -2.596 3.718 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.705 -5.008 3.438 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.743 -4.323 4.768 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.966 -4.708 3.214 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.251 -3.704 1.491 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.549 -3.294 1.171 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.757 -2.000 1.352 1.00 0.14 H new ATOM 852 N MET A 82 4.978 -2.316 5.880 1.00 0.11 N ATOM 853 CA MET A 82 4.355 -2.656 7.143 1.00 0.12 C ATOM 854 C MET A 82 3.381 -1.578 7.616 1.00 0.11 C ATOM 855 O MET A 82 2.576 -1.840 8.500 1.00 0.12 O ATOM 856 CB MET A 82 5.400 -2.952 8.212 1.00 0.15 C ATOM 857 CG MET A 82 6.264 -1.762 8.591 1.00 0.13 C ATOM 858 SD MET A 82 7.599 -2.211 9.716 1.00 0.49 S ATOM 859 CE MET A 82 6.680 -3.062 10.994 1.00 0.42 C ATOM 0 H MET A 82 5.966 -2.072 5.943 1.00 0.11 H new ATOM 0 HA MET A 82 3.774 -3.562 6.974 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.894 -3.318 9.106 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.045 -3.756 7.859 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.687 -1.321 7.688 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.641 -0.998 9.057 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.278 -3.106 11.904 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.753 -2.525 11.194 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.449 -4.074 10.663 1.00 0.42 H new ATOM 869 N TRP A 83 3.432 -0.370 7.049 1.00 0.09 N ATOM 870 CA TRP A 83 2.496 0.666 7.474 1.00 0.09 C ATOM 871 C TRP A 83 1.063 0.337 7.044 1.00 0.09 C ATOM 872 O TRP A 83 0.182 0.210 7.884 1.00 0.11 O ATOM 873 CB TRP A 83 2.898 2.052 6.950 1.00 0.09 C ATOM 874 CG TRP A 83 1.904 3.109 7.307 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.836 3.824 8.468 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.823 3.565 6.490 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.775 4.693 8.419 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.141 4.554 7.214 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.371 3.230 5.213 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.970 5.210 6.701 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.730 3.882 4.707 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.388 4.862 5.448 1.00 0.15 C ATOM 0 H TRP A 83 4.089 -0.093 6.319 1.00 0.09 H new ATOM 0 HA TRP A 83 2.535 0.692 8.563 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.873 2.322 7.357 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.005 2.010 5.866 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.516 3.721 9.301 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.503 5.338 9.161 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.876 2.473 4.632 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.485 5.968 7.272 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.090 3.630 3.720 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.248 5.357 5.022 1.00 0.15 H new ATOM 893 N ALA A 84 0.810 0.185 5.750 1.00 0.09 N ATOM 894 CA ALA A 84 -0.548 -0.135 5.308 1.00 0.10 C ATOM 895 C ALA A 84 -0.977 -1.447 5.951 1.00 0.10 C ATOM 896 O ALA A 84 -2.128 -1.632 6.355 1.00 0.12 O ATOM 897 CB ALA A 84 -0.629 -0.216 3.791 1.00 0.12 C ATOM 0 H ALA A 84 1.501 0.274 5.005 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.225 0.660 5.620 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.650 -0.455 3.493 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.340 0.742 3.360 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.045 -0.993 3.432 1.00 0.12 H new ATOM 903 N VAL A 85 -0.005 -2.331 6.072 1.00 0.10 N ATOM 904 CA VAL A 85 -0.156 -3.585 6.779 1.00 0.11 C ATOM 905 C VAL A 85 -0.600 -3.388 8.233 1.00 0.13 C ATOM 906 O VAL A 85 -1.582 -3.987 8.663 1.00 0.14 O ATOM 907 CB VAL A 85 1.176 -4.374 6.707 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.382 -5.293 7.906 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.232 -5.167 5.417 1.00 0.14 C ATOM 0 H VAL A 85 0.925 -2.195 5.675 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.948 -4.155 6.293 1.00 0.11 H new ATOM 0 HB VAL A 85 1.987 -3.646 6.729 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.330 -5.820 7.802 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.395 -4.700 8.821 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.568 -6.017 7.954 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.170 -5.720 5.370 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.396 -5.866 5.383 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.170 -4.486 4.568 1.00 0.14 H new ATOM 919 N ASN A 86 0.106 -2.554 8.986 1.00 0.15 N ATOM 920 CA ASN A 86 -0.187 -2.394 10.407 1.00 0.19 C ATOM 921 C ASN A 86 -1.498 -1.648 10.638 1.00 0.23 C ATOM 922 O ASN A 86 -2.097 -1.746 11.708 1.00 0.27 O ATOM 923 CB ASN A 86 0.980 -1.748 11.168 1.00 0.23 C ATOM 924 CG ASN A 86 0.902 -0.237 11.356 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.355 0.285 12.373 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.362 0.474 10.391 1.00 0.32 N ATOM 0 H ASN A 86 0.878 -1.983 8.642 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.314 -3.396 10.816 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.048 -2.213 12.151 1.00 0.23 H new ATOM 0 HB3 ASN A 86 1.905 -1.981 10.640 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.310 1.489 10.473 1.00 0.32 H new ATOM 0 HD22 ASN A 86 -0.005 0.010 9.560 1.00 0.32 H new ATOM 933 N GLU A 87 -1.941 -0.907 9.630 1.00 0.24 N ATOM 934 CA GLU A 87 -3.183 -0.157 9.729 1.00 0.31 C ATOM 935 C GLU A 87 -4.333 -1.139 9.606 1.00 0.28 C ATOM 936 O GLU A 87 -5.370 -1.024 10.260 1.00 0.35 O ATOM 937 CB GLU A 87 -3.250 0.898 8.614 1.00 0.38 C ATOM 938 CG GLU A 87 -4.582 1.625 8.512 1.00 1.23 C ATOM 939 CD GLU A 87 -4.910 2.438 9.746 1.00 1.35 C ATOM 940 OE1 GLU A 87 -5.513 1.883 10.684 1.00 2.15 O ATOM 941 OE2 GLU A 87 -4.563 3.632 9.784 1.00 1.08 O ATOM 0 H GLU A 87 -1.458 -0.810 8.737 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.240 0.364 10.685 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.461 1.632 8.778 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.041 0.414 7.660 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.564 2.284 7.644 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.375 0.896 8.343 1.00 1.23 H new ATOM 948 N PHE A 88 -4.109 -2.124 8.761 1.00 0.23 N ATOM 949 CA PHE A 88 -5.072 -3.172 8.504 1.00 0.23 C ATOM 950 C PHE A 88 -4.907 -4.354 9.450 1.00 0.25 C ATOM 951 O PHE A 88 -5.628 -5.349 9.346 1.00 0.30 O ATOM 952 CB PHE A 88 -4.897 -3.635 7.074 1.00 0.24 C ATOM 953 CG PHE A 88 -5.747 -2.867 6.118 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.054 -3.256 5.878 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.251 -1.756 5.471 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.851 -2.546 5.007 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.042 -1.045 4.597 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.343 -1.439 4.364 1.00 0.45 C ATOM 0 H PHE A 88 -3.244 -2.220 8.229 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.072 -2.770 8.668 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.850 -3.533 6.788 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.144 -4.694 7.005 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.453 -4.126 6.379 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.234 -1.441 5.651 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.870 -2.856 4.829 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.643 -0.177 4.093 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.963 -0.880 3.678 1.00 0.45 H new ATOM 968 N SER A 89 -3.949 -4.235 10.368 1.00 0.27 N ATOM 969 CA SER A 89 -3.610 -5.315 11.289 1.00 0.34 C ATOM 970 C SER A 89 -3.253 -6.584 10.513 1.00 0.36 C ATOM 971 O SER A 89 -3.575 -7.697 10.934 1.00 0.48 O ATOM 972 CB SER A 89 -4.777 -5.582 12.254 1.00 0.45 C ATOM 973 OG SER A 89 -4.475 -6.631 13.164 1.00 1.07 O ATOM 0 H SER A 89 -3.389 -3.391 10.493 1.00 0.27 H new ATOM 0 HA SER A 89 -2.741 -5.013 11.874 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.006 -4.672 12.810 1.00 0.45 H new ATOM 0 HB3 SER A 89 -5.669 -5.840 11.684 1.00 0.45 H new ATOM 0 HG SER A 89 -4.023 -7.358 12.687 1.00 1.07 H new ATOM 979 N LEU A 90 -2.574 -6.412 9.383 1.00 0.31 N ATOM 980 CA LEU A 90 -2.250 -7.535 8.520 1.00 0.40 C ATOM 981 C LEU A 90 -1.226 -8.416 9.209 1.00 0.59 C ATOM 982 O LEU A 90 -1.334 -9.639 9.187 1.00 1.23 O ATOM 983 CB LEU A 90 -1.747 -7.023 7.164 1.00 0.33 C ATOM 984 CG LEU A 90 -2.698 -6.024 6.497 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.164 -5.561 5.159 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.077 -6.650 6.324 1.00 0.27 C ATOM 0 H LEU A 90 -2.240 -5.508 9.047 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.140 -8.135 8.332 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.774 -6.551 7.301 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.598 -7.872 6.497 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.777 -5.151 7.145 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.863 -4.853 4.713 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.198 -5.076 5.301 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.046 -6.419 4.498 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.746 -5.932 5.849 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -3.997 -7.540 5.699 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.476 -6.927 7.300 1.00 0.27 H new ATOM 998 N LYS A 91 -0.243 -7.764 9.829 1.00 0.24 N ATOM 999 CA LYS A 91 0.667 -8.402 10.792 1.00 0.39 C ATOM 1000 C LYS A 91 1.455 -9.590 10.242 1.00 0.26 C ATOM 1001 O LYS A 91 2.232 -10.195 10.978 1.00 0.39 O ATOM 1002 CB LYS A 91 -0.116 -8.874 12.016 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.620 -7.752 12.896 1.00 1.31 C ATOM 1004 CD LYS A 91 -1.489 -8.290 14.020 1.00 1.49 C ATOM 1005 CE LYS A 91 -1.722 -7.251 15.102 1.00 1.91 C ATOM 1006 NZ LYS A 91 -0.462 -6.897 15.805 1.00 2.48 N ATOM 0 H LYS A 91 -0.051 -6.773 9.680 1.00 0.24 H new ATOM 0 HA LYS A 91 1.395 -7.631 11.044 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.966 -9.470 11.683 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.520 -9.530 12.610 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.225 -7.206 13.315 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -1.192 -7.044 12.297 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -2.448 -8.613 13.615 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.015 -9.169 14.457 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -2.155 -6.355 14.658 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -2.446 -7.632 15.822 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -0.686 -6.483 16.732 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 0.114 -7.753 15.938 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.070 -6.207 15.237 1.00 2.48 H new ATOM 1020 N GLY A 92 1.293 -9.931 8.977 1.00 0.26 N ATOM 1021 CA GLY A 92 1.903 -11.138 8.474 1.00 0.31 C ATOM 1022 C GLY A 92 2.513 -10.917 7.115 1.00 0.31 C ATOM 1023 O GLY A 92 2.228 -11.640 6.164 1.00 0.47 O ATOM 0 H GLY A 92 0.754 -9.398 8.294 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.671 -11.477 9.169 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.155 -11.929 8.415 1.00 0.31 H new ATOM 1027 N VAL A 93 3.341 -9.894 7.026 1.00 0.21 N ATOM 1028 CA VAL A 93 4.046 -9.592 5.806 1.00 0.21 C ATOM 1029 C VAL A 93 5.416 -10.230 5.849 1.00 0.20 C ATOM 1030 O VAL A 93 6.114 -10.152 6.864 1.00 0.22 O ATOM 1031 CB VAL A 93 4.142 -8.065 5.578 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.559 -7.619 5.257 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.219 -7.674 4.448 1.00 0.23 C ATOM 0 H VAL A 93 3.540 -9.255 7.796 1.00 0.21 H new ATOM 0 HA VAL A 93 3.491 -10.004 4.963 1.00 0.21 H new ATOM 0 HB VAL A 93 3.847 -7.570 6.503 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.575 -6.540 5.105 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.219 -7.879 6.085 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.901 -8.118 4.350 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.282 -6.599 4.282 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.514 -8.199 3.539 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.194 -7.942 4.706 1.00 0.23 H new ATOM 1043 N ASP A 94 5.784 -10.893 4.770 1.00 0.21 N ATOM 1044 CA ASP A 94 7.094 -11.491 4.688 1.00 0.24 C ATOM 1045 C ASP A 94 8.052 -10.445 4.170 1.00 0.21 C ATOM 1046 O ASP A 94 8.144 -10.222 2.967 1.00 0.20 O ATOM 1047 CB ASP A 94 7.089 -12.715 3.773 1.00 0.32 C ATOM 1048 CG ASP A 94 8.375 -13.506 3.879 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.351 -13.165 3.188 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.414 -14.477 4.663 1.00 1.10 O ATOM 0 H ASP A 94 5.197 -11.028 3.947 1.00 0.21 H new ATOM 0 HA ASP A 94 7.403 -11.833 5.676 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.246 -13.357 4.030 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.943 -12.396 2.741 1.00 0.32 H new ATOM 1055 N PHE A 95 8.740 -9.784 5.087 1.00 0.23 N ATOM 1056 CA PHE A 95 9.608 -8.668 4.739 1.00 0.24 C ATOM 1057 C PHE A 95 10.702 -9.116 3.784 1.00 0.23 C ATOM 1058 O PHE A 95 11.326 -8.305 3.105 1.00 0.28 O ATOM 1059 CB PHE A 95 10.242 -8.059 5.986 1.00 0.29 C ATOM 1060 CG PHE A 95 9.258 -7.387 6.902 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.944 -6.049 6.738 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.648 -8.093 7.928 1.00 0.41 C ATOM 1063 CE1 PHE A 95 8.043 -5.426 7.576 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.744 -7.476 8.770 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.441 -6.140 8.594 1.00 0.61 C ATOM 0 H PHE A 95 8.714 -10.002 6.083 1.00 0.23 H new ATOM 0 HA PHE A 95 8.993 -7.912 4.251 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.761 -8.843 6.538 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.995 -7.332 5.681 1.00 0.29 H new ATOM 0 HD1 PHE A 95 9.411 -5.486 5.944 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.883 -9.138 8.070 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.808 -4.381 7.437 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.275 -8.037 9.565 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.735 -5.654 9.251 1.00 0.61 H new ATOM 1075 N GLN A 96 10.923 -10.417 3.751 1.00 0.21 N ATOM 1076 CA GLN A 96 11.918 -11.009 2.875 1.00 0.24 C ATOM 1077 C GLN A 96 11.387 -11.147 1.457 1.00 0.21 C ATOM 1078 O GLN A 96 12.144 -11.070 0.489 1.00 0.25 O ATOM 1079 CB GLN A 96 12.349 -12.364 3.412 1.00 0.33 C ATOM 1080 CG GLN A 96 13.211 -12.273 4.655 1.00 1.06 C ATOM 1081 CD GLN A 96 14.497 -11.518 4.395 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.507 -12.106 4.015 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.470 -10.212 4.604 1.00 1.93 N ATOM 0 H GLN A 96 10.420 -11.091 4.328 1.00 0.21 H new ATOM 0 HA GLN A 96 12.783 -10.347 2.847 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.462 -12.956 3.637 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.899 -12.896 2.636 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.653 -11.777 5.449 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.445 -13.277 5.009 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.610 -9.764 4.920 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.309 -9.653 4.450 1.00 1.93 H new ATOM 1092 N LYS A 97 10.085 -11.347 1.330 1.00 0.18 N ATOM 1093 CA LYS A 97 9.448 -11.341 0.028 1.00 0.19 C ATOM 1094 C LYS A 97 9.269 -9.889 -0.380 1.00 0.17 C ATOM 1095 O LYS A 97 9.216 -9.546 -1.558 1.00 0.20 O ATOM 1096 CB LYS A 97 8.094 -12.061 0.082 1.00 0.23 C ATOM 1097 CG LYS A 97 7.795 -12.914 -1.144 1.00 0.26 C ATOM 1098 CD LYS A 97 7.664 -12.082 -2.410 1.00 0.25 C ATOM 1099 CE LYS A 97 7.511 -12.961 -3.640 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.725 -13.782 -3.885 1.00 1.43 N ATOM 0 H LYS A 97 9.452 -11.515 2.112 1.00 0.18 H new ATOM 0 HA LYS A 97 10.063 -11.870 -0.701 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.067 -12.695 0.968 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.304 -11.319 0.197 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.590 -13.648 -1.275 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.872 -13.470 -0.980 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.802 -11.421 -2.325 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.543 -11.447 -2.522 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.649 -13.616 -3.514 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.313 -12.336 -4.511 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.718 -14.128 -4.866 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.574 -13.202 -3.728 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.734 -14.592 -3.233 1.00 1.43 H new ATOM 1114 N PHE A 98 9.233 -9.038 0.635 1.00 0.16 N ATOM 1115 CA PHE A 98 9.105 -7.605 0.459 1.00 0.16 C ATOM 1116 C PHE A 98 10.470 -6.944 0.363 1.00 0.20 C ATOM 1117 O PHE A 98 10.613 -5.744 0.609 1.00 0.22 O ATOM 1118 CB PHE A 98 8.330 -7.004 1.618 1.00 0.15 C ATOM 1119 CG PHE A 98 6.850 -7.118 1.449 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.151 -6.127 0.789 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.158 -8.211 1.938 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.789 -6.217 0.621 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.795 -8.307 1.769 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.110 -7.309 1.110 1.00 0.12 C ATOM 0 H PHE A 98 9.293 -9.329 1.611 1.00 0.16 H new ATOM 0 HA PHE A 98 8.566 -7.426 -0.471 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.624 -7.501 2.542 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.599 -5.953 1.722 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.681 -5.270 0.400 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.691 -8.995 2.456 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.254 -5.433 0.107 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.262 -9.165 2.153 1.00 0.13 H new ATOM 0 HZ PHE A 98 3.041 -7.384 0.978 1.00 0.12 H new ATOM 1134 N CYS A 99 11.476 -7.731 0.030 1.00 0.26 N ATOM 1135 CA CYS A 99 12.811 -7.210 -0.176 1.00 0.31 C ATOM 1136 C CYS A 99 12.898 -6.456 -1.493 1.00 0.23 C ATOM 1137 O CYS A 99 13.373 -6.982 -2.500 1.00 0.27 O ATOM 1138 CB CYS A 99 13.812 -8.349 -0.168 1.00 0.45 C ATOM 1139 SG CYS A 99 14.224 -8.981 1.476 1.00 1.20 S ATOM 0 H CYS A 99 11.391 -8.739 -0.104 1.00 0.26 H new ATOM 0 HA CYS A 99 13.042 -6.517 0.634 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.415 -9.168 -0.768 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.728 -8.013 -0.653 1.00 0.45 H new ATOM 0 HG CYS A 99 15.083 -9.950 1.365 1.00 1.20 H new ATOM 1145 N MET A 100 12.425 -5.226 -1.477 1.00 0.19 N ATOM 1146 CA MET A 100 12.530 -4.362 -2.627 1.00 0.16 C ATOM 1147 C MET A 100 13.300 -3.115 -2.290 1.00 0.17 C ATOM 1148 O MET A 100 13.111 -2.520 -1.232 1.00 0.20 O ATOM 1149 CB MET A 100 11.154 -3.927 -3.147 1.00 0.22 C ATOM 1150 CG MET A 100 10.412 -4.979 -3.940 1.00 0.22 C ATOM 1151 SD MET A 100 9.557 -6.168 -2.894 1.00 0.13 S ATOM 1152 CE MET A 100 8.391 -5.097 -2.055 1.00 0.18 C ATOM 0 H MET A 100 11.962 -4.804 -0.672 1.00 0.19 H new ATOM 0 HA MET A 100 13.045 -4.940 -3.395 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.538 -3.631 -2.298 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.281 -3.043 -3.772 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.689 -4.492 -4.594 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.117 -5.508 -4.582 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.564 -5.142 -0.980 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.524 -4.072 -2.401 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.374 -5.424 -2.273 1.00 0.18 H new ATOM 1162 N SER A 101 14.173 -2.732 -3.187 1.00 0.16 N ATOM 1163 CA SER A 101 14.583 -1.360 -3.252 1.00 0.18 C ATOM 1164 C SER A 101 13.449 -0.657 -3.970 1.00 0.14 C ATOM 1165 O SER A 101 12.717 -1.314 -4.693 1.00 0.15 O ATOM 1166 CB SER A 101 15.904 -1.209 -4.007 1.00 0.24 C ATOM 1167 OG SER A 101 16.895 -2.070 -3.470 1.00 1.26 O ATOM 0 H SER A 101 14.608 -3.347 -3.875 1.00 0.16 H new ATOM 0 HA SER A 101 14.766 -0.937 -2.264 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.752 -1.436 -5.062 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.245 -0.175 -3.949 1.00 0.24 H new ATOM 0 HG SER A 101 17.731 -1.958 -3.969 1.00 1.26 H new ATOM 1173 N GLY A 102 13.249 0.611 -3.747 1.00 0.13 N ATOM 1174 CA GLY A 102 12.086 1.270 -4.293 1.00 0.14 C ATOM 1175 C GLY A 102 11.907 1.089 -5.787 1.00 0.14 C ATOM 1176 O GLY A 102 10.776 0.947 -6.261 1.00 0.16 O ATOM 0 H GLY A 102 13.867 1.208 -3.197 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.198 0.894 -3.785 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.151 2.336 -4.074 1.00 0.14 H new ATOM 1180 N ALA A 103 13.003 1.102 -6.535 1.00 0.17 N ATOM 1181 CA ALA A 103 12.939 0.849 -7.969 1.00 0.21 C ATOM 1182 C ALA A 103 12.385 -0.545 -8.224 1.00 0.21 C ATOM 1183 O ALA A 103 11.601 -0.758 -9.146 1.00 0.25 O ATOM 1184 CB ALA A 103 14.311 1.009 -8.607 1.00 0.26 C ATOM 0 H ALA A 103 13.940 1.284 -6.176 1.00 0.17 H new ATOM 0 HA ALA A 103 12.272 1.581 -8.425 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.239 0.815 -9.677 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.671 2.025 -8.445 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.007 0.301 -8.156 1.00 0.26 H new ATOM 1190 N ALA A 104 12.780 -1.479 -7.371 1.00 0.19 N ATOM 1191 CA ALA A 104 12.274 -2.838 -7.417 1.00 0.20 C ATOM 1192 C ALA A 104 10.821 -2.859 -6.977 1.00 0.16 C ATOM 1193 O ALA A 104 9.988 -3.523 -7.597 1.00 0.17 O ATOM 1194 CB ALA A 104 13.106 -3.753 -6.532 1.00 0.22 C ATOM 0 H ALA A 104 13.460 -1.314 -6.629 1.00 0.19 H new ATOM 0 HA ALA A 104 12.343 -3.202 -8.442 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.709 -4.767 -6.582 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.140 -3.751 -6.877 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.066 -3.398 -5.502 1.00 0.22 H new ATOM 1200 N LEU A 105 10.524 -2.137 -5.889 1.00 0.12 N ATOM 1201 CA LEU A 105 9.165 -1.961 -5.409 1.00 0.09 C ATOM 1202 C LEU A 105 8.224 -1.575 -6.526 1.00 0.12 C ATOM 1203 O LEU A 105 7.177 -2.160 -6.715 1.00 0.13 O ATOM 1204 CB LEU A 105 9.119 -0.852 -4.350 1.00 0.09 C ATOM 1205 CG LEU A 105 7.723 -0.618 -3.802 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.249 -1.840 -3.044 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.669 0.607 -2.924 1.00 0.14 C ATOM 0 H LEU A 105 11.226 -1.662 -5.323 1.00 0.12 H new ATOM 0 HA LEU A 105 8.850 -2.915 -4.986 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.787 -1.112 -3.529 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.494 0.075 -4.785 1.00 0.09 H new ATOM 0 HG LEU A 105 7.056 -0.444 -4.646 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.247 -1.661 -2.655 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.230 -2.699 -3.714 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.929 -2.041 -2.216 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.654 0.742 -2.550 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.352 0.483 -2.083 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.962 1.483 -3.503 1.00 0.14 H new ATOM 1219 N CYS A 106 8.592 -0.535 -7.200 1.00 0.21 N ATOM 1220 CA CYS A 106 7.828 -0.024 -8.305 1.00 0.31 C ATOM 1221 C CYS A 106 7.770 -1.024 -9.467 1.00 0.34 C ATOM 1222 O CYS A 106 6.691 -1.327 -9.982 1.00 0.40 O ATOM 1223 CB CYS A 106 8.462 1.285 -8.746 1.00 0.39 C ATOM 1224 SG CYS A 106 7.378 2.378 -9.697 1.00 0.74 S ATOM 0 H CYS A 106 9.441 -0.006 -7.001 1.00 0.21 H new ATOM 0 HA CYS A 106 6.798 0.141 -7.990 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.807 1.820 -7.861 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.343 1.060 -9.346 1.00 0.39 H new ATOM 0 HG CYS A 106 8.091 3.086 -10.522 1.00 0.74 H new ATOM 1230 N ALA A 107 8.930 -1.544 -9.863 1.00 0.33 N ATOM 1231 CA ALA A 107 9.041 -2.402 -11.041 1.00 0.41 C ATOM 1232 C ALA A 107 8.201 -3.681 -10.967 1.00 0.38 C ATOM 1233 O ALA A 107 7.813 -4.211 -12.013 1.00 0.46 O ATOM 1234 CB ALA A 107 10.498 -2.762 -11.287 1.00 0.47 C ATOM 0 H ALA A 107 9.814 -1.384 -9.380 1.00 0.33 H new ATOM 0 HA ALA A 107 8.641 -1.821 -11.872 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.571 -3.402 -12.167 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.075 -1.852 -11.451 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.893 -3.291 -10.420 1.00 0.47 H new ATOM 1240 N LEU A 108 7.920 -4.191 -9.762 1.00 0.29 N ATOM 1241 CA LEU A 108 7.193 -5.461 -9.643 1.00 0.26 C ATOM 1242 C LEU A 108 5.832 -5.425 -10.349 1.00 0.26 C ATOM 1243 O LEU A 108 5.429 -6.408 -10.972 1.00 0.28 O ATOM 1244 CB LEU A 108 7.051 -5.931 -8.171 1.00 0.21 C ATOM 1245 CG LEU A 108 6.722 -4.878 -7.104 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.330 -4.276 -7.292 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.852 -5.500 -5.724 1.00 0.19 C ATOM 0 H LEU A 108 8.177 -3.757 -8.875 1.00 0.29 H new ATOM 0 HA LEU A 108 7.805 -6.202 -10.158 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.273 -6.693 -8.138 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.984 -6.416 -7.884 1.00 0.21 H new ATOM 0 HG LEU A 108 7.434 -4.060 -7.209 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.145 -3.537 -6.513 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.270 -3.796 -8.269 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.581 -5.065 -7.229 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.619 -4.753 -4.965 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.159 -6.337 -5.635 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.872 -5.857 -5.580 1.00 0.19 H new ATOM 1259 N GLY A 109 5.148 -4.290 -10.291 1.00 0.27 N ATOM 1260 CA GLY A 109 3.817 -4.199 -10.864 1.00 0.32 C ATOM 1261 C GLY A 109 2.782 -4.887 -9.995 1.00 0.27 C ATOM 1262 O GLY A 109 3.132 -5.689 -9.126 1.00 0.23 O ATOM 0 H GLY A 109 5.489 -3.432 -9.859 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.547 -3.151 -10.991 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.817 -4.650 -11.856 1.00 0.32 H new ATOM 1266 N LYS A 110 1.513 -4.556 -10.216 1.00 0.33 N ATOM 1267 CA LYS A 110 0.416 -5.140 -9.443 1.00 0.36 C ATOM 1268 C LYS A 110 0.551 -6.664 -9.345 1.00 0.26 C ATOM 1269 O LYS A 110 0.535 -7.211 -8.245 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.950 -4.724 -10.050 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.831 -5.878 -10.533 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.589 -6.552 -9.405 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.673 -8.070 -9.595 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.420 -8.455 -10.822 1.00 0.67 N ATOM 0 H LYS A 110 1.216 -3.885 -10.925 1.00 0.33 H new ATOM 0 HA LYS A 110 0.467 -4.751 -8.426 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.503 -4.155 -9.302 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.767 -4.053 -10.889 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.542 -5.503 -11.269 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.209 -6.617 -11.039 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.098 -6.332 -8.457 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.596 -6.138 -9.347 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.665 -8.482 -9.644 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.157 -8.515 -8.725 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.446 -9.492 -10.901 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.391 -8.087 -10.767 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.945 -8.056 -11.657 1.00 0.67 H new ATOM 1288 N GLU A 111 0.695 -7.339 -10.485 1.00 0.25 N ATOM 1289 CA GLU A 111 0.741 -8.799 -10.517 1.00 0.31 C ATOM 1290 C GLU A 111 1.753 -9.355 -9.524 1.00 0.27 C ATOM 1291 O GLU A 111 1.408 -10.165 -8.664 1.00 0.39 O ATOM 1292 CB GLU A 111 1.070 -9.281 -11.928 1.00 0.48 C ATOM 1293 CG GLU A 111 1.125 -10.794 -12.059 1.00 1.39 C ATOM 1294 CD GLU A 111 1.389 -11.239 -13.479 1.00 1.95 C ATOM 1295 OE1 GLU A 111 2.544 -11.121 -13.935 1.00 2.46 O ATOM 1296 OE2 GLU A 111 0.449 -11.726 -14.137 1.00 2.54 O ATOM 0 H GLU A 111 0.782 -6.896 -11.400 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.243 -9.168 -10.227 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.322 -8.892 -12.619 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.031 -8.864 -12.230 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.907 -11.184 -11.407 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.182 -11.220 -11.717 1.00 1.39 H new ATOM 1303 N CYS A 112 2.988 -8.895 -9.632 1.00 0.21 N ATOM 1304 CA CYS A 112 4.057 -9.399 -8.796 1.00 0.18 C ATOM 1305 C CYS A 112 3.799 -9.063 -7.339 1.00 0.15 C ATOM 1306 O CYS A 112 3.878 -9.937 -6.492 1.00 0.17 O ATOM 1307 CB CYS A 112 5.408 -8.840 -9.239 1.00 0.21 C ATOM 1308 SG CYS A 112 6.818 -9.430 -8.269 1.00 1.36 S ATOM 0 H CYS A 112 3.273 -8.172 -10.293 1.00 0.21 H new ATOM 0 HA CYS A 112 4.085 -10.483 -8.904 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.569 -9.099 -10.285 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.373 -7.752 -9.182 1.00 0.21 H new ATOM 0 HG CYS A 112 7.913 -8.899 -8.727 1.00 1.36 H new ATOM 1314 N PHE A 113 3.482 -7.801 -7.053 1.00 0.13 N ATOM 1315 CA PHE A 113 3.237 -7.367 -5.682 1.00 0.12 C ATOM 1316 C PHE A 113 2.153 -8.210 -4.994 1.00 0.13 C ATOM 1317 O PHE A 113 2.288 -8.587 -3.831 1.00 0.14 O ATOM 1318 CB PHE A 113 2.843 -5.882 -5.643 1.00 0.12 C ATOM 1319 CG PHE A 113 3.152 -5.232 -4.322 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.423 -5.568 -3.200 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.197 -4.320 -4.188 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.713 -5.015 -1.976 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.493 -3.774 -2.960 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.751 -4.120 -1.855 1.00 0.10 C ATOM 0 H PHE A 113 3.389 -7.064 -7.752 1.00 0.13 H new ATOM 0 HA PHE A 113 4.169 -7.508 -5.135 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.369 -5.350 -6.436 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.777 -5.788 -5.849 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.612 -6.276 -3.285 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.779 -4.040 -5.054 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.127 -5.283 -1.110 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.309 -3.073 -2.864 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.983 -3.689 -0.892 1.00 0.10 H new ATOM 1334 N LEU A 114 1.070 -8.502 -5.688 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.022 -9.231 -5.050 1.00 0.17 C ATOM 1336 C LEU A 114 0.306 -10.712 -4.954 1.00 0.22 C ATOM 1337 O LEU A 114 -0.297 -11.442 -4.173 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.357 -9.038 -5.755 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.632 -7.646 -6.325 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.121 -7.399 -6.382 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.966 -6.543 -5.533 1.00 0.50 C ATOM 0 H LEU A 114 0.919 -8.257 -6.666 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.126 -8.814 -4.048 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.420 -9.759 -6.570 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.153 -9.282 -5.051 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.205 -7.626 -7.328 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.310 -6.406 -6.789 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.590 -8.148 -7.020 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.539 -7.465 -5.378 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.198 -5.579 -5.986 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.333 -6.559 -4.507 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.113 -6.695 -5.535 1.00 0.50 H new ATOM 1353 N GLU A 115 1.235 -11.157 -5.785 1.00 0.22 N ATOM 1354 CA GLU A 115 1.796 -12.490 -5.645 1.00 0.28 C ATOM 1355 C GLU A 115 2.873 -12.468 -4.570 1.00 0.27 C ATOM 1356 O GLU A 115 3.293 -13.501 -4.046 1.00 0.37 O ATOM 1357 CB GLU A 115 2.408 -12.957 -6.962 1.00 0.37 C ATOM 1358 CG GLU A 115 1.386 -13.230 -8.048 1.00 0.48 C ATOM 1359 CD GLU A 115 0.460 -14.373 -7.698 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.855 -15.539 -7.882 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.668 -14.105 -7.226 1.00 2.21 O ATOM 0 H GLU A 115 1.615 -10.616 -6.561 1.00 0.22 H new ATOM 0 HA GLU A 115 0.999 -13.180 -5.366 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.107 -12.199 -7.316 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.985 -13.864 -6.782 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.797 -12.330 -8.222 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.903 -13.458 -8.980 1.00 0.48 H new ATOM 1368 N LEU A 116 3.285 -11.258 -4.244 1.00 0.20 N ATOM 1369 CA LEU A 116 4.393 -11.006 -3.346 1.00 0.19 C ATOM 1370 C LEU A 116 3.922 -10.999 -1.891 1.00 0.22 C ATOM 1371 O LEU A 116 4.676 -11.326 -0.976 1.00 0.26 O ATOM 1372 CB LEU A 116 5.042 -9.681 -3.774 1.00 0.15 C ATOM 1373 CG LEU A 116 5.687 -8.834 -2.688 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.937 -8.164 -3.219 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.720 -7.781 -2.200 1.00 0.16 C ATOM 0 H LEU A 116 2.850 -10.408 -4.603 1.00 0.20 H new ATOM 0 HA LEU A 116 5.138 -11.800 -3.406 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.802 -9.905 -4.522 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.280 -9.076 -4.265 1.00 0.15 H new ATOM 0 HG LEU A 116 5.955 -9.487 -1.857 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.389 -7.561 -2.432 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.646 -8.924 -3.546 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.677 -7.524 -4.062 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.195 -7.182 -1.423 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.434 -7.136 -3.031 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.831 -8.264 -1.793 1.00 0.16 H new ATOM 1387 N ALA A 117 2.659 -10.661 -1.696 1.00 0.21 N ATOM 1388 CA ALA A 117 2.029 -10.728 -0.382 1.00 0.22 C ATOM 1389 C ALA A 117 0.702 -11.463 -0.504 1.00 0.23 C ATOM 1390 O ALA A 117 0.370 -11.916 -1.595 1.00 0.26 O ATOM 1391 CB ALA A 117 1.811 -9.326 0.179 1.00 0.22 C ATOM 0 H ALA A 117 2.041 -10.333 -2.438 1.00 0.21 H new ATOM 0 HA ALA A 117 2.682 -11.267 0.304 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.340 -9.396 1.160 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.771 -8.818 0.273 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.166 -8.761 -0.494 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.063 -11.642 0.588 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.468 -12.028 0.472 1.00 0.25 C ATOM 1399 C PRO A 118 -2.176 -11.104 -0.513 1.00 0.22 C ATOM 1400 O PRO A 118 -1.964 -9.893 -0.486 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.006 -11.827 1.884 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.827 -12.034 2.771 1.00 0.32 C ATOM 1403 CD PRO A 118 0.370 -11.542 1.999 1.00 0.29 C ATOM 0 HA PRO A 118 -1.614 -13.045 0.107 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.426 -10.829 2.010 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.801 -12.538 2.110 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.941 -11.484 3.705 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.716 -13.086 3.032 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.628 -10.518 2.268 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.251 -12.154 2.193 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.990 -11.672 -1.385 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.544 -10.930 -2.523 1.00 0.32 C ATOM 1413 C ASP A 119 -4.355 -9.694 -2.111 1.00 0.31 C ATOM 1414 O ASP A 119 -4.583 -8.812 -2.938 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.394 -11.839 -3.414 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.807 -12.023 -2.905 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.027 -12.917 -2.064 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.698 -11.254 -3.317 1.00 1.26 O ATOM 0 H ASP A 119 -3.287 -12.646 -1.334 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.683 -10.571 -3.086 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.429 -11.421 -4.420 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.913 -12.814 -3.491 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.776 -9.600 -0.851 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.491 -8.416 -0.400 1.00 0.32 C ATOM 1425 C PHE A 120 -4.483 -7.399 0.085 1.00 0.22 C ATOM 1426 O PHE A 120 -4.608 -6.206 -0.156 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.497 -8.741 0.707 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.369 -7.577 1.095 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.805 -6.664 0.144 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.752 -7.395 2.415 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.603 -5.595 0.504 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.550 -6.328 2.780 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.975 -5.427 1.823 1.00 1.86 C ATOM 0 H PHE A 120 -4.636 -10.317 -0.139 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.062 -8.013 -1.237 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.131 -9.565 0.379 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.955 -9.087 1.587 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.517 -6.791 -0.889 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.422 -8.096 3.167 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.935 -4.892 -0.245 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.841 -6.198 3.812 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.598 -4.592 2.106 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.457 -7.909 0.732 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.411 -7.101 1.311 1.00 0.17 C ATOM 1445 C VAL A 121 -1.512 -6.544 0.238 1.00 0.15 C ATOM 1446 O VAL A 121 -1.104 -5.386 0.301 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.594 -7.949 2.276 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.454 -7.148 2.881 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.530 -8.497 3.326 1.00 0.22 C ATOM 0 H VAL A 121 -3.326 -8.911 0.871 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.867 -6.268 1.846 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.127 -8.779 1.747 1.00 0.18 H new ATOM 0 HG11 VAL A 121 0.111 -7.780 3.566 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.204 -6.794 2.087 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.858 -6.294 3.425 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -1.968 -9.109 4.031 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.002 -7.672 3.859 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.297 -9.106 2.848 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.201 -7.377 -0.742 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.458 -6.922 -1.882 1.00 0.19 C ATOM 1461 C GLY A 122 -1.154 -5.768 -2.551 1.00 0.16 C ATOM 1462 O GLY A 122 -0.524 -4.784 -2.871 1.00 0.14 O ATOM 0 H GLY A 122 -1.455 -8.365 -0.762 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.542 -6.618 -1.572 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.337 -7.740 -2.592 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.467 -5.884 -2.735 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.250 -4.849 -3.401 1.00 0.19 C ATOM 1468 C ASP A 123 -3.437 -3.650 -2.480 1.00 0.13 C ATOM 1469 O ASP A 123 -3.420 -2.511 -2.927 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.599 -5.425 -3.844 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.547 -4.385 -4.404 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.509 -4.139 -5.628 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.363 -3.841 -3.637 1.00 1.07 O ATOM 0 H ASP A 123 -3.013 -6.690 -2.430 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.715 -4.507 -4.287 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.427 -6.192 -4.599 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.072 -5.916 -2.993 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.623 -3.922 -1.193 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.620 -2.883 -0.169 1.00 0.10 C ATOM 1480 C ILE A 124 -2.344 -2.053 -0.247 1.00 0.09 C ATOM 1481 O ILE A 124 -2.381 -0.839 -0.469 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.784 -3.509 1.239 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.265 -3.751 1.528 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.165 -2.633 2.324 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.516 -4.460 2.838 1.00 0.22 C ATOM 0 H ILE A 124 -3.779 -4.863 -0.831 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.466 -2.220 -0.349 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.253 -4.461 1.249 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.786 -2.794 1.536 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.694 -4.340 0.717 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.301 -3.107 3.296 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.100 -2.508 2.127 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.651 -1.657 2.325 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.588 -4.598 2.977 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.023 -5.432 2.826 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.118 -3.862 3.658 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.218 -2.714 -0.075 1.00 0.08 N ATOM 1498 CA LEU A 125 0.063 -2.071 -0.210 1.00 0.08 C ATOM 1499 C LEU A 125 0.250 -1.508 -1.610 1.00 0.09 C ATOM 1500 O LEU A 125 0.699 -0.383 -1.762 1.00 0.10 O ATOM 1501 CB LEU A 125 1.166 -3.053 0.153 1.00 0.08 C ATOM 1502 CG LEU A 125 1.545 -3.032 1.622 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.435 -4.209 1.965 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.239 -1.722 1.940 1.00 0.09 C ATOM 0 H LEU A 125 -1.170 -3.705 0.161 1.00 0.08 H new ATOM 0 HA LEU A 125 0.112 -1.227 0.478 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.846 -4.060 -0.116 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.050 -2.829 -0.444 1.00 0.08 H new ATOM 0 HG LEU A 125 0.642 -3.115 2.226 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.694 -4.173 3.023 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.907 -5.139 1.752 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.345 -4.163 1.367 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.513 -1.702 2.995 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.137 -1.629 1.330 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.566 -0.892 1.725 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.154 -2.266 -2.621 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.032 -1.819 -4.002 1.00 0.10 C ATOM 1518 C TRP A 126 -0.808 -0.526 -4.218 1.00 0.11 C ATOM 1519 O TRP A 126 -0.352 0.354 -4.943 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.506 -2.885 -4.998 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.573 -2.357 -6.391 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.699 -2.091 -7.108 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.534 -1.994 -7.219 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.358 -1.552 -8.331 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.010 -1.492 -8.423 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.920 -2.039 -7.056 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.827 -1.035 -9.453 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.728 -1.592 -8.083 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.179 -1.091 -9.267 1.00 0.25 C ATOM 0 H TRP A 126 -0.568 -3.192 -2.511 1.00 0.09 H new ATOM 0 HA TRP A 126 1.027 -1.639 -4.186 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.172 -3.738 -4.966 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.490 -3.248 -4.700 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.708 -2.274 -6.770 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.015 -1.248 -9.049 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.353 -2.417 -6.142 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.406 -0.649 -10.369 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.801 -1.630 -7.970 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.836 -0.742 -10.049 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.975 -0.409 -3.592 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.721 0.832 -3.641 1.00 0.12 C ATOM 1542 C GLU A 127 -1.875 1.958 -3.127 1.00 0.12 C ATOM 1543 O GLU A 127 -1.600 2.886 -3.856 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.018 0.772 -2.849 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.229 0.503 -3.716 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.512 1.597 -4.723 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.750 1.722 -5.704 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.469 2.366 -4.518 1.00 1.43 O ATOM 0 H GLU A 127 -2.416 -1.153 -3.052 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.984 1.001 -4.685 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.939 -0.009 -2.092 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.159 1.715 -2.321 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.083 -0.438 -4.247 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.102 0.376 -3.076 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.430 1.882 -1.882 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.607 2.961 -1.360 1.00 0.11 C ATOM 1557 C HIS A 128 0.646 3.118 -2.194 1.00 0.10 C ATOM 1558 O HIS A 128 1.134 4.226 -2.338 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.232 2.774 0.108 1.00 0.11 C ATOM 1560 CG HIS A 128 0.243 4.056 0.737 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.792 4.128 1.998 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.214 5.333 0.271 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.073 5.388 2.285 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.735 6.138 1.255 1.00 0.15 N ATOM 0 H HIS A 128 -1.616 1.115 -1.235 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.211 3.866 -1.421 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.095 2.399 0.658 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.550 2.019 0.189 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.151 5.655 -0.693 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.507 5.743 3.208 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.843 7.151 1.198 1.00 0.15 H new ATOM 1573 N LEU A 129 1.158 2.027 -2.742 1.00 0.10 N ATOM 1574 CA LEU A 129 2.267 2.098 -3.669 1.00 0.12 C ATOM 1575 C LEU A 129 1.889 3.017 -4.807 1.00 0.15 C ATOM 1576 O LEU A 129 2.617 3.957 -5.141 1.00 0.18 O ATOM 1577 CB LEU A 129 2.609 0.696 -4.194 1.00 0.11 C ATOM 1578 CG LEU A 129 3.785 0.618 -5.165 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.833 1.640 -4.801 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.403 -0.766 -5.130 1.00 0.13 C ATOM 0 H LEU A 129 0.820 1.082 -2.558 1.00 0.10 H new ATOM 0 HA LEU A 129 3.149 2.491 -3.164 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.823 0.052 -3.341 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.727 0.289 -4.688 1.00 0.11 H new ATOM 0 HG LEU A 129 3.414 0.824 -6.169 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.665 1.573 -5.502 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.399 2.639 -4.848 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.193 1.448 -3.790 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.240 -0.808 -5.827 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.758 -0.980 -4.122 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.655 -1.506 -5.416 1.00 0.13 H new ATOM 1592 N GLU A 130 0.718 2.765 -5.355 1.00 0.17 N ATOM 1593 CA GLU A 130 0.223 3.547 -6.448 1.00 0.23 C ATOM 1594 C GLU A 130 -0.108 4.958 -5.984 1.00 0.25 C ATOM 1595 O GLU A 130 0.116 5.926 -6.691 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.009 2.888 -7.084 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.399 3.513 -8.412 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.770 3.089 -8.884 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.872 2.036 -9.546 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.754 3.796 -8.579 1.00 1.73 O ATOM 0 H GLU A 130 0.094 2.017 -5.052 1.00 0.17 H new ATOM 0 HA GLU A 130 1.005 3.603 -7.206 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.810 1.827 -7.233 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.850 2.961 -6.394 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.373 4.599 -8.318 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.661 3.241 -9.166 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.646 5.057 -4.791 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.952 6.333 -4.179 1.00 0.21 C ATOM 1609 C ILE A 131 0.321 7.182 -3.978 1.00 0.22 C ATOM 1610 O ILE A 131 0.343 8.358 -4.296 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.679 6.123 -2.837 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.200 5.937 -3.029 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.436 7.301 -1.909 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.619 4.871 -4.025 1.00 0.23 C ATOM 0 H ILE A 131 -0.886 4.252 -4.213 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.611 6.879 -4.854 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.273 5.213 -2.395 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.642 5.696 -2.062 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.625 6.889 -3.346 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.957 7.135 -0.966 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.367 7.401 -1.720 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.809 8.214 -2.374 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.707 4.829 -4.077 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.217 5.114 -5.009 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.234 3.903 -3.705 1.00 0.23 H new ATOM 1626 N LEU A 132 1.390 6.593 -3.459 1.00 0.18 N ATOM 1627 CA LEU A 132 2.635 7.348 -3.268 1.00 0.20 C ATOM 1628 C LEU A 132 3.067 7.956 -4.583 1.00 0.25 C ATOM 1629 O LEU A 132 3.575 9.079 -4.641 1.00 0.29 O ATOM 1630 CB LEU A 132 3.778 6.472 -2.773 1.00 0.21 C ATOM 1631 CG LEU A 132 3.483 5.612 -1.562 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.136 4.269 -1.779 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.998 6.250 -0.275 1.00 0.25 C ATOM 0 H LEU A 132 1.429 5.617 -3.166 1.00 0.18 H new ATOM 0 HA LEU A 132 2.426 8.111 -2.519 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.089 5.820 -3.589 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.626 7.115 -2.538 1.00 0.21 H new ATOM 0 HG LEU A 132 2.404 5.505 -1.450 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.940 3.626 -0.921 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.729 3.807 -2.678 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.212 4.402 -1.895 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.767 5.602 0.570 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.077 6.386 -0.343 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.518 7.218 -0.132 1.00 0.25 H new ATOM 1645 N GLN A 133 2.840 7.207 -5.645 1.00 0.28 N ATOM 1646 CA GLN A 133 3.257 7.633 -6.958 1.00 0.38 C ATOM 1647 C GLN A 133 2.181 8.505 -7.594 1.00 0.37 C ATOM 1648 O GLN A 133 2.485 9.315 -8.460 1.00 0.47 O ATOM 1649 CB GLN A 133 3.603 6.423 -7.838 1.00 0.58 C ATOM 1650 CG GLN A 133 2.418 5.784 -8.545 1.00 0.79 C ATOM 1651 CD GLN A 133 2.596 4.294 -8.753 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.205 3.629 -7.781 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.148 3.737 -9.754 1.00 0.31 N flip ATOM 0 H GLN A 133 2.369 6.302 -5.620 1.00 0.28 H new ATOM 0 HA GLN A 133 4.162 8.234 -6.864 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.330 6.734 -8.588 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.087 5.668 -7.218 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.514 5.960 -7.962 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.273 6.267 -9.511 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.686 4.286 -10.479 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.238 2.726 -9.859 1.00 0.31 H new